Composition:
H:
C:
N:
O:
S:
Cl:
F:
I:
Charge:
Pruning threshold:
Predict spectrum
Spectrum:
Data:
Rockwood, Haimi, Efficient Calculation of Accurate Masses of Isotopic Peaks,
J. Am. Soc. Mass Spectrum
, 2006, 17, 3, 415-419